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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031162

[(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2S,4S,5R)-4-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate

Formula: C33H42O13  |  Mol. Weight: 646.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2S,4S,5R)-4-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate

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Overview

Molecular Formula C33H42O13
Molecular Weight 646.70 g/mol
Canonical SMILES CC1(C2CC1C(CC2C(=O)OCC3C(C(C(C(O3)OC45CC6C4(C7OC5(CC6(O7)O)C)COC(=O)C8=CC=CC=C8)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy